2-(2-propylpentoxy)oxane

C13H26O2 — CID 175998246

IUPAC2-(2-propylpentoxy)oxane
SMILESCCCC(CCC)COC1CCCCO1
InChIInChI=1S/C13H26O2/c1-3-7-12(8-4-2)11-15-13-9-5-6-10-14-13/h12-13H,3-11H2,1-2H3
InChIKeyQCKHYWXJMSNNRE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.75
Rot. Bonds7

About 2-(2-propylpentoxy)oxane

2-(2-propylpentoxy)oxane (PubChem CID 175998246) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(2-propylpentoxy)oxane.

Molecular Properties

Compound Name2-(2-propylpentoxy)oxane
PubChem CID175998246
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-(2-propylpentoxy)oxane
SMILESCCCC(CCC)COC1CCCCO1
InChIInChI=1S/C13H26O2/c1-3-7-12(8-4-2)11-15-13-9-5-6-10-14-13/h12-13H,3-11H2,1-2H3
InChIKeyQCKHYWXJMSNNRE-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-(oxan-2-yloxymethyl)pentyl propanoate
CID 138656444
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-octacosoxyoxane
CID 11214102
2-(3-methylpentoxy)oxane
CID 14309360
2-hex-2-ynoxyoxane
CID 11041365
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpentoxy)oxane?
The IUPAC name of 2-(2-propylpentoxy)oxane (CID 175998246) is 2-(2-propylpentoxy)oxane.
What is the SMILES notation for 2-(2-propylpentoxy)oxane?
The canonical SMILES for 2-(2-propylpentoxy)oxane is CCCC(CCC)COC1CCCCO1.
What is the InChIKey of 2-(2-propylpentoxy)oxane?
The InChIKey is QCKHYWXJMSNNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-7-12(8-4-2)11-15-13-9-5-6-10-14-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2-propylpentoxy)oxane?
2-(2-propylpentoxy)oxane has a molecular weight of 214.35 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpentoxy)oxane is sourced from PubChem (CID 175998246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).